2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide

C23H30N2O2 — CID 132654865

IUPAC2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C
InChIInChI=1S/C23H30N2O2/c1-5-21(23(27)24-17(2)3)25(16-19-12-7-6-8-13-19)22(26)15-20-14-10-9-11-18(20)4/h6-14,17,21H,5,15-16H2,1-4H3,(H,24,27)
InChIKeyJBHXTPYIVRGSRO-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.87
Rot. Bonds8

About 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide

2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide (PubChem CID 132654865) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
PubChem CID132654865
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C
InChIInChI=1S/C23H30N2O2/c1-5-21(23(27)24-17(2)3)25(16-19-12-7-6-8-13-19)22(26)15-20-14-10-9-11-18(20)4/h6-14,17,21H,5,15-16H2,1-4H3,(H,24,27)
InChIKeyJBHXTPYIVRGSRO-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132657130
2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide
CID 132649938
(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100528777
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100687714
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100506714
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650
2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132661408
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100677108
2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide
CID 132701684
2-[(2-fluorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262661
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
(2R)-2-[(2-methylphenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 100734536

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide (CID 132654865) is 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C.
What is the InChIKey of 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is JBHXTPYIVRGSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-21(23(27)24-17(2)3)25(16-19-12-7-6-8-13-19)22(26)15-20-14-10-9-11-18(20)4/h6-14,17,21H,5,15-16H2,1-4H3,(H,24,27).
What are the key properties of 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide?
2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 366.51 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132654865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).